*** ***
output from eigenvector calculation:
STDOUT:
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2404131447413989959.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404131447413989959.atom to be opened.
Openam> File opened: 2404131447413989959.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.388843 +/- 9.434298 From: 82.510000 To: 123.336000
= -69.120286 +/- 8.284647 From: -89.126000 To: -49.877000
= -263.967514 +/- 9.511599 From: -283.950000 To: -243.076000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.8600 % Filled.
Pdbmat> 15213 non-zero elements.
Pdbmat> 1567 atom-atom interactions.
Pdbmat> Number per atom= 16.94 +/- 5.14
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31340.0
Pdbmat> Larger element = 106.771
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 555
Diagstd> Number of non-zero elements 15213
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31340.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31340.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3950108 0.7760923 0.8750236 0.8951320
1.0791788 1.4436216 1.5968668 1.9318015 1.9898438
2.1006980 2.3325458 2.4140340 2.4312940 2.9104705
3.0515994 3.2724952 3.6870758 3.7344254 3.8010207
3.9299503 4.3794983 4.6854177 4.8571356 5.0071748
5.4673575 5.5744104 5.7797086 6.2255907 6.4998771
6.6673837 6.7676576 7.2005906 7.3062678 7.4240996
7.8730346 7.9283288 8.0336074 8.2512665 8.4936876
8.8356032 8.9487486 9.1058474 9.2935389 9.3372053
9.6299736 9.9770580 10.1972621 10.4596385 10.5955866
10.8424990 11.1651629 11.2611345 11.2940848 11.5491524
12.0442096 12.2573452 12.5828490 12.8278836 13.1262414
13.2781785 13.4243184 13.6776373 14.0109166 14.0826818
14.3383125 14.6512744 14.8119506 14.8344224 15.0754123
15.1279713 15.2249787 15.4545310 15.7818302 15.9174878
16.3957962 16.6638635 16.9316862 17.0520063 17.2508344
17.2742568 17.5869221 17.8936107 18.1608640 18.2366518
18.5052573 18.6948704 19.1336858 19.3858519 19.4314400
19.8158427 20.0287305 20.3278649 20.4380147 20.5753679
20.6815389 20.9581232 21.3467652 21.5369602 21.7961138
21.8394696 22.3269919 22.3852484 22.6161136 22.9137664
22.9769231 23.2078691 23.3508403 23.6698392 23.9571055
24.0746808 24.2751301 24.5879564 24.6305189 24.8159463
24.8508101 25.0949478 25.5935715 25.7066495 25.9357340
26.1113743 26.1471935 26.2856687 26.5160596 26.7271450
26.9313402 27.0036123 27.4563777 27.6059926 27.7239730
28.0041102 28.0097259 28.1921804 28.4598672 28.5303939
28.5433934 28.8439551 29.1019798 29.2081272 29.4096653
29.4669883 29.5654412 29.8389352 29.8938624 29.9549787
30.1900520 30.5514979 30.5849376 30.7399052 30.9616874
31.2382913 31.4530379 31.5680042 31.7418142 31.9467044
32.0287419 32.2212524 32.3346034 32.5989861 32.8375513
32.9268538 33.1001850 33.2967380 33.3413040 33.5792328
33.8773108 33.9840036 34.1894901 34.3902047 34.7230085
34.8215357 35.0054706 35.1921825 35.3023780 35.4310683
35.6152304 35.7376169 35.8841266 36.0005330 36.1558872
36.2502063 36.3562611 36.6203953 36.7717793 36.9103253
37.2332061 37.4292474 37.5912236 37.9356612 38.0272429
38.1854391 38.2635019 38.3804346 38.7990188 38.8777370
39.0070546 39.2909689 39.3716411 39.5517719 39.7907274
40.0080793 40.3469511 40.6502342 40.6867084 40.8336344
40.9517450 41.0909291 41.2112386 41.4380687 41.5244835
41.8424827 42.0500248 42.2422940 42.3195183 42.4168770
42.5837540 42.6556153 42.7721691 42.9155775 43.0627657
43.2858932 43.4093056 43.4151023 43.6338445 43.8603545
43.9562968 44.0452345 44.3898989 44.4348238 44.5199532
44.7252246 44.8030228 44.9680468 45.1077645 45.3337551
45.4206235 45.4715364 45.6819794 45.8956199 46.1191825
46.3346125 46.4639721 46.6384524 46.8010802 46.8906222
47.2791040 47.3150941 47.4042581 47.5277129 47.8571354
47.9239895 48.1516846 48.2474858 48.3578551 48.8063386
48.9573479 49.2023689 49.4794308 49.5688081 49.5810819
49.7348982 49.9539880 50.0110084 50.2402946 50.4099779
50.5759267 50.6940961 50.9376172 50.9844536 51.2308590
51.4235904 51.6164665 51.8822166 51.9178193 52.2247814
52.6731243 52.7263297 52.8696802 53.0638793 53.1767133
53.3467955 53.4557661 53.6483631 53.8198886 53.9254230
54.2755836 54.3639891 54.5008308 54.5949407 54.7992887
55.0510352 55.2622621 55.6181688 55.8306198 56.0873174
56.1490769 56.4247089 56.6741195 56.8229971 56.9229527
57.1219627 57.3403613 57.5380898 57.6717817 57.8081136
58.0461527 58.3334930 58.3716431 58.6719050 58.7309486
58.9628667 59.1579645 59.4463128 59.6758760 59.7957342
60.1714575 60.2853642 60.5126099 60.6828615 60.8421616
61.0801435 61.2047960 61.4902820 61.5648212 61.8898894
61.9464167 62.0642932 62.3797095 62.4828549 62.5163974
62.6095307 63.1820132 63.2678572 63.4159354 63.6879306
63.8438303 64.0103533 64.2951513 64.3807112 64.6884811
64.9720853 65.1042289 65.2157918 65.5091521 65.8101522
65.9427472 66.1073526 66.3940843 66.5546091 66.6455738
66.8417160 67.0507753 67.3569209 67.6293426 67.9206880
68.0061492 68.1015846 68.2624282 68.4407293 68.4718986
69.0291009 69.1880121 69.4054349 69.5082707 69.7155012
69.8784819 70.3168102 70.3554762 70.5488296 70.8497122
71.0088050 71.1848292 71.3989389 71.6922290 72.0338675
72.1196641 72.3856866 72.7604075 72.9122128 73.1293108
73.4208073 73.6089309 73.8096916 74.0637560 74.2846070
74.6697550 74.8355719 75.1167686 75.5962178 75.7942295
75.9514167 76.1314264 76.2364664 76.3649236 76.6165853
76.8067730 77.0463907 77.6303395 77.8461310 78.1537588
78.2279503 78.4413653 78.6411326 78.8189095 79.2211637
79.3410553 79.5534400 79.5817897 79.8913283 80.0969289
80.2609743 80.4382560 80.7902293 81.2339371 81.4673174
81.7715456 82.0080969 82.4619395 82.7975925 82.8411686
83.2364307 83.3788087 83.4915792 83.9244982 84.0889619
84.4406502 84.5509396 84.7280059 85.0514067 85.1706924
85.4177212 86.1346390 86.1986461 86.6738906 87.0708525
87.1496518 87.2788191 87.8123748 88.0368731 88.1932210
88.7042510 88.7499916 89.1197019 89.5746770 90.0536850
90.1669978 90.5436389 90.7491685 90.9920775 91.3867743
91.7320339 92.0386583 92.2135746 92.9264016 93.0199782
93.1171933 93.4477211 94.0702039 94.5679833 94.8477947
94.9660971 95.2763847 95.2871535 96.1695146 96.2208086
96.7377085 97.0182458 97.4728789 97.8092897 98.1085584
98.4952806 98.8072957 99.1811028 99.3052262 99.4126544
99.6998056 100.2285468 100.6882735 101.4963005 101.6551396
102.4389702 102.7348344 103.0892580 103.5700892 103.8293985
104.1115477 104.4038802 105.3627219 105.5030610 106.0034177
106.3228948 106.6066390 106.9059418 107.4853239 108.1070705
108.2661173 108.9000633 108.9854495 109.6133781 110.0824789
110.3269183 111.0063250 111.4831598 111.7253039 113.0249889
113.0905328 113.5183927 114.4202568 115.2945155 115.5811038
116.5357877 116.8352829 117.1250419 117.5159684 117.6450763
118.4559125 119.3133583 120.1204769 121.2580641 121.5265763
121.9040090 122.8054561 123.1220320 125.1382922 125.7959668
126.4197845 126.7930018 127.2579610 128.0713478 128.7972846
130.4926464 130.8448454 132.1465890 134.1801498 134.5705711
134.8938304 135.8852862 136.4686088 136.9282087 137.7881782
139.9953900 140.8267375 142.4731041 143.9710343 145.4550257
147.4627493 149.9471777 152.6488721 152.8372588 161.5415253
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034196 0.0034267 0.0034316 0.0034362 0.0034412
0.0034513 68.2495439 95.6647565 101.5792877 102.7398227
112.8085410 130.4733958 137.2238597 150.9303317 153.1809542
157.3899855 165.8480501 168.7201586 169.3222468 185.2579602
189.6963798 196.4421988 208.5145246 209.8491295 211.7119614
215.2726253 227.2518676 235.0549702 239.3235271 242.9918215
253.9124623 256.3862605 261.0647589 270.9477591 276.8521196
280.3967689 282.4974096 291.3931516 293.5236321 295.8810667
304.6957253 305.7638285 307.7872190 311.9288820 316.4779253
322.7850271 324.8451845 327.6841711 331.0440922 331.8208987
336.9828726 343.0019026 346.7664486 351.1992809 353.4742514
357.5690955 362.8505722 364.4067004 364.9394413 369.0373607
376.8638086 380.1836971 385.1986644 388.9312020 393.4281887
395.6986161 397.8701913 401.6065818 406.4700536 407.5097115
411.1916638 415.6549732 417.9279412 418.2448495 421.6284232
422.3627666 423.7147931 426.8970912 431.3938633 433.2439859
439.7051339 443.2850956 446.8331499 448.4179851 451.0247073
451.3307939 455.3970366 459.3505834 462.7682269 463.7328203
467.1354688 469.5226093 475.0010822 478.1208968 478.6827461
483.3943311 485.9840231 489.5997223 490.9244181 492.5712787
493.8405027 497.1317202 501.7198887 503.9500385 506.9729804
507.4769526 513.1098922 513.7788696 516.4214452 519.8086719
520.5245479 523.1339591 524.7428584 528.3149912 531.5112396
532.8139040 535.0274488 538.4637819 538.9296292 540.9544537
541.3343128 543.9868836 549.3646713 550.5769410 553.0247290
554.8941493 555.2746164 556.7430388 559.1776102 561.3989102
563.5393714 564.2950133 569.0060712 570.5542752 571.7721707
574.6536499 574.7112652 576.5800526 579.3109202 580.0282743
580.1604000 583.2069437 585.8096857 586.8770626 588.8983284
589.4719657 590.4558942 593.1806028 593.7263121 594.3329219
596.6603947 600.2214810 600.5498735 602.0693826 604.2373832
606.9304346 609.0130226 610.1250312 611.8023673 613.7737524
614.5613166 616.4054769 617.4887503 620.0080477 622.2725772
623.1181447 624.7560794 626.6082731 627.0274747 629.2607808
632.0475390 633.0420379 634.9530186 636.8140856 639.8879823
640.7951857 642.4853666 644.1965299 645.2043115 646.3792462
648.0569307 649.1694515 650.4987556 651.5529952 652.9573152
653.8084388 654.7641417 657.1383216 658.4951835 659.7345320
662.6138315 664.3559479 665.7919060 668.8351810 669.6420231
671.0334581 671.7190070 672.7446058 676.4031973 677.0890171
678.2141704 680.6778989 681.3763246 682.9332413 684.9931353
686.8614323 689.7641859 692.3517690 692.6623123 693.9118408
694.9146807 696.0945936 697.1128914 699.0287426 699.7572392
702.4315385 704.1714422 705.7794805 706.4243135 707.2364334
708.6262764 709.2239378 710.1922320 711.3818175 712.6006916
714.4444584 715.4622096 715.5099786 717.3102226 719.1696460
719.9557902 720.6837727 723.4980388 723.8640552 724.5571219
726.2255854 726.8569351 728.1943289 729.3247177 731.1493989
731.8495771 732.2596342 733.9521334 735.6663649 737.4559444
739.1763238 740.2074419 741.5959433 742.8877872 743.5981113
746.6720572 746.9561964 747.6596742 748.6326057 751.2225739
751.7471019 753.5308256 754.2800544 755.1422946 758.6359069
759.8086295 761.7075959 763.8491994 764.5387788 764.6334274
765.8185768 767.5034972 767.9414084 769.6997914 770.9985013
772.2665159 773.1681803 775.0230035 775.3792325 777.2506592
778.7113022 780.1703041 782.1760999 782.4444271 784.7541043
788.1154109 788.5133500 789.5845139 791.0333220 791.8738948
793.1392614 793.9489143 795.3778970 796.6483803 797.4290642
800.0138972 800.6651742 801.6722330 802.3640825 803.8642981
805.7086485 807.2528916 809.8482036 811.3934638 813.2566336
813.7042619 815.6990263 817.4998300 818.5728733 819.2925204
820.7234473 822.2909168 823.7074617 824.6638640 825.6380111
827.3361489 829.3813618 829.6525253 831.7836418 832.2020629
833.8435534 835.2219351 837.2549838 838.8700354 839.7120429
842.3460541 843.1429729 844.7305922 845.9180776 847.0276706
848.6826124 849.5481676 851.5271951 852.0431541 854.2896281
854.6796729 855.4924619 857.6635519 858.3723360 858.6027038
859.2420141 863.1613991 863.7475793 864.7577874 866.6103050
867.6703313 868.8011607 870.7317719 871.3109366 873.3910900
875.3035363 876.1932036 876.9436066 878.9137714 880.9306650
881.8176725 882.9175772 884.8302733 885.8992804 886.5044826
887.8080439 889.1953484 891.2230149 893.0234500 894.9449432
895.5077985 896.1359271 897.1935584 898.3645264 898.5690700
902.2177947 903.2556912 904.6738147 905.3437797 906.6923619
907.7515745 910.5941608 910.8444863 912.0952353 914.0381563
915.0638157 916.1972923 917.5741269 919.4567847 921.6449478
922.1936512 923.8928992 926.2811828 927.2469631 928.6263883
930.4753194 931.6666191 932.9362661 934.5405423 935.9328598
938.3560175 939.3973295 941.1605799 944.1593843 945.3951095
946.3749143 947.4957351 948.1491488 948.9476203 950.5099696
951.6889784 953.1723364 956.7776525 958.1065226 959.9977505
960.4533060 961.7625283 962.9864138 964.0742681 966.5312251
967.2623124 968.5560588 968.7286212 970.6107595 971.8588920
972.8536083 973.9274427 976.0559214 978.7325485 980.1374605
981.9658480 983.3851531 986.1024843 988.1073614 988.3673457
990.7224505 991.5694163 992.2397430 994.8088883 995.7831563
997.8633332 998.5147838 999.5597803 1001.4655878 1002.1676259
1003.6199157 1007.8228463 1008.1972363 1010.9726951 1013.2851515
1013.7435605 1014.4945328 1017.5907289 1018.8906682 1019.7950097
1022.7453103 1023.0089675 1025.1375528 1027.7509947 1030.4953221
1031.1434445 1033.2948206 1034.4669203 1035.8504775 1038.0946539
1040.0537681 1041.7905649 1042.7800383 1046.8027152 1047.3296457
1047.8767848 1049.7349032 1053.2253971 1056.0083304 1057.5694555
1058.2287960 1059.9561885 1060.0160887 1064.9126652 1065.1966239
1068.0539193 1069.6014651 1072.1046431 1073.9531416 1075.5948829
1077.7126763 1079.4183254 1081.4582217 1082.1347230 1082.7198905
1084.2824692 1087.1538221 1089.6442394 1094.0077199 1094.8634320
1099.0763991 1100.6624309 1102.5593768 1105.1276768 1106.5102701
1108.0126828 1109.5671747 1114.6506432 1115.3927324 1118.0345233
1119.7180432 1121.2111447 1122.7839663 1125.8223473 1129.0738000
1129.9040398 1133.2072554 1133.6514299 1136.9125521 1139.3427174
1140.6069775 1144.1135863 1146.5682596 1147.8127709 1154.4696412
1154.8043345 1156.9867806 1161.5736174 1166.0028305 1167.4511011
1172.2626780 1173.7680600 1175.2226685 1177.1822966 1177.8287694
1181.8807294 1186.1505517 1190.1557636 1195.7781004 1197.1013257
1198.9588409 1203.3836636 1204.9337456 1214.7597463 1217.9476977
1220.9638427 1222.7647833 1225.0047153 1228.9133730 1232.3913284
1240.4758101 1242.1487010 1248.3123264 1257.8805924 1259.7092781
1261.2213788 1265.8478169 1268.5618961 1270.6962366 1274.6802573
1284.8491681 1288.6584901 1296.1692779 1302.9652781 1309.6632648
1318.6709642 1329.7329433 1341.6587896 1342.4864167 1380.1852123
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131447413989959.eigenfacs
Openam> file on opening on unit 10:
2404131447413989959.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131447413989959.atom
Openam> file on opening on unit 11:
2404131447413989959.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9168E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9576E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9862E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0042E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0101E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8951
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.395000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.540 for 185 C-alpha atoms.
Bfactors> = 1.713 +/- 2.79
Bfactors> = 27.528 +/- 13.47
Bfactors> Shiftng-fct= 25.815
Bfactors> Scaling-fct= 4.823
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131447413989959 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2404131447413989959 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2404131447413989959 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2404131447413989959 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2404131447413989959 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2404131447413989959 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2404131447413989959 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2404131447413989959 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2404131447413989959 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2404131447413989959 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=-20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=0
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=20
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=40
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=60
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=80
2404131447413989959.eigenfacs
2404131447413989959.atom
calculating perturbed structure for DQ=100
2404131447413989959.eigenfacs
2404131447413989959.atom
making animated gifs
11 models are in 2404131447413989959.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131447413989959.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404131447413989959.10.pdb
2404131447413989959.11.pdb
2404131447413989959.12.pdb
2404131447413989959.13.pdb
2404131447413989959.14.pdb
2404131447413989959.15.pdb
2404131447413989959.16.pdb
2404131447413989959.7.pdb
2404131447413989959.8.pdb
2404131447413989959.9.pdb
STDERR:
real 0m2.462s
user 0m2.446s
sys 0m0.016s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404131447413989959.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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